![(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/840/840483-30-9.png)
(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 840483-30-9) is a chemical compound with molecular formula C20H25FN4O2S and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(3-piperidin-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(4-fluorobenzyl)-5-(((3-(piperidin-1-yl)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H25FN4O2S |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 3.09379 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.1682 |
| Heavy Atoms | 28 |
| Complexity | 930.7024 |
Chemical Identifiers
| CAS Number | 840483-30-9 |
|---|---|
| SMILES | C1CCN(CC1)CCCN=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
(5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 840483-30-9), with molecular formula C20H25FN4O2S and molecular weight 404.17 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(3-piperidin-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.09379 indicates that (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 840483-30-9.
What is the molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C20H25FN4O2S.
What is the molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 404.17 g/mol.
Where can I buy (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[(4-fluorophenyl)methyl]-5-[(3-piperidin-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.